N-butan-2-yl-5-oxo-1,2-dihydropyrazole-3-carboxamide

C8H13N3O2 — CID 110600660

IUPACN-butan-2-yl-5-oxo-1,2-dihydropyrazole-3-carboxamide
SMILESCCC(C)NC(=O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C8H13N3O2/c1-3-5(2)9-8(13)6-4-7(12)11-10-6/h4-5H,3H2,1-2H3,(H,9,13)(H2,10,11,12)
InChIKeyNRMFLYUJBBXMHW-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.23
Rot. Bonds3

About N-butan-2-yl-5-oxo-1,2-dihydropyrazole-3-carboxamide

N-butan-2-yl-5-oxo-1,2-dihydropyrazole-3-carboxamide (PubChem CID 110600660) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-butan-2-yl-5-oxo-1,2-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-oxo-1,2-dihydropyrazole-3-carboxamide
PubChem CID110600660
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN-butan-2-yl-5-oxo-1,2-dihydropyrazole-3-carboxamide
SMILESCCC(C)NC(=O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C8H13N3O2/c1-3-5(2)9-8(13)6-4-7(12)11-10-6/h4-5H,3H2,1-2H3,(H,9,13)(H2,10,11,12)
InChIKeyNRMFLYUJBBXMHW-UHFFFAOYSA-N
XLogP0.23
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-Hydroxy-N-methyl-1H-pyrazole-3-carboxamide
CID 45084132
2-(2-cyanoethyl)-N-ethyl-3-oxo-1H-pyrazole-5-carboxamide
CID 21501925
N-methyl-2-[3-(methylamino)-3-oxopropyl]-3-oxo-1H-pyrazole-5-carboxamide
CID 21501927
2-(2-cyanoethyl)-N-methyl-3-oxo-1H-pyrazole-5-carboxamide
CID 21501951
2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetamide
CID 21501955
N-[3-(5-methyl-3-oxo-1H-pyrazol-2-yl)propyl]acetamide
CID 21520748
4-amino-2-methyl-3-oxo-N-propyl-1H-pyrazole-5-carboxamide
CID 53913534
N-butyl-5-oxopyrazole-3-carboxamide
CID 53949567
N-butyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 53992180
5,6-dioxo-N-propan-2-yl-1,2-dihydropyridazine-3-carboxamide
CID 90090176
N-ethyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 108466350
5-oxo-N-propyl-1,2-dihydropyrazole-3-carboxamide
CID 112513801

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The IUPAC name of N-butan-2-yl-5-oxo-1,2-dihydropyrazole-3-carboxamide (CID 110600660) is N-butan-2-yl-5-oxo-1,2-dihydropyrazole-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5-oxo-1,2-dihydropyrazole-3-carboxamide is CCC(C)NC(=O)c1cc(=O)[nH][nH]1.
What is the InChIKey of N-butan-2-yl-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The InChIKey is NRMFLYUJBBXMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-3-5(2)9-8(13)6-4-7(12)11-10-6/h4-5H,3H2,1-2H3,(H,9,13)(H2,10,11,12).
What are the key properties of N-butan-2-yl-5-oxo-1,2-dihydropyrazole-3-carboxamide?
N-butan-2-yl-5-oxo-1,2-dihydropyrazole-3-carboxamide has a molecular weight of 183.21 g/mol, XLogP of 0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-oxo-1,2-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 110600660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).